SCHEMBL19086211

SCHEMBL19086211

CC[C@@H](NC(=O)c1ccc(N)c(C=N)c1)C(=O)N1CCc2sc(C(=O)NCc3cccc(F)c3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 8/20 0.42
WDR77 Q9BQA1 8/20 0.42
NAMPT P43490 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
BACE1 P56817 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM1A O60341 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19086007 0.92 PRMT5 (0.40) PRMT5WDR77MAPTSMN1; SMN2ALDH1A1
SCHEMBL19086009 0.92 KMT2A (0.42) PRMT5WDR77SMN1; SMN2KDM4EHCRTR1
SCHEMBL19086016 0.90 PRMT5 (0.42) PRMT5WDR77NAMPTGAAMAPT
SCHEMBL19086981 0.90 PRMT5 (0.38) PRMT5WDR77ALDH1A1LMNAKDM4E
SCHEMBL19086207 0.89 PRMT5 (0.36) PRMT5WDR77ALDH1A1LMNAKDM4E
SCHEMBL19086006 0.89 KDM4E (0.38) PRMT5WDR77SMN1; SMN2ALDH1A1LMNA
SCHEMBL19086261 0.88 PRMT5 (0.41) PRMT5WDR77ALDH1A1KDM4EKDM1A
SCHEMBL19087006 0.87 PRMT5 (0.38) PRMT5WDR77HCRTR1HCRTR2KDM1A
SCHEMBL19086194 0.86 PRMT5 (0.43) PRMT5WDR77HCRTR1HCRTR2KMT2A
SCHEMBL19086188 0.86 PRMT5 (0.39) PRMT5WDR77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017114275-A1 COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME 成都先导药物开发有限公司 2017-07-06 WO disclosed